N-[(E)-(4-cyanophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
Formula:C22H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-cyanophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide is a drug-like molecule.
| MolName | N-[(E)-(4-cyanophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide |
| MolecularFormula | C22H17N3O2 |
| Smiles | N#Cc1ccc(/C=N/NC(C(c2ccccc2)(c2ccccc2)O)=O)cc1 |
| InChI | InChI=1S/C22H17N3O2/c23-15-17-11-13-18(14-12-17)16-24-25-21(26)22(27,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16,27H,(H,25,26) |
| InChIK | YJRDQGPEFJODNP-UHFFFAOYSA-N |
| TotalMolweight | 355.396 |
| Molweight | 355.396 |
| MonoisotopicMass | 355.132077 |
| CLogP | 3.3175 |
| CLogS | -5.2 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 285.22 |
| Relative PSA | 0.21973 |
| PolarSurfaceArea | 85.48 |
| Druglikeness | 1.1583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - N-[(E)-(4-cyanophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide | 2 - N-[(E)-(4-cyanophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
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